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Angiopeptin

CAT: 0931-T25087-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T25087-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113294-82-9
Target
Somatostatin, AChR
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Angiopeptin is a synthetic octapeptide analog of somatostatin; suppresses accelerated transplant atherosclerosis in rabbit heart arteries.
Smiles
C([C@@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](CC2=CC3=C(C=C2)C=CC=C3)N)=O)CS)=O)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@@H](C)O)C(N)=O)=O)CS)=O)C(C)C)=O)CCCCN)=O)C=4C=5C(NC4)=CC=CC5
Molecular Formula
C54H71N11O10S2
Molecular Weight
1098.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Angiopeptin
CAS Number113294-82-9
PubChem CID5311220
IUPAC Name(2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular FormulaC54H71N11O10S2
Molecular Weight1098.3
XLogP2.6
Topological Polar Surface Area357
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Heavy Atom Count77
Formal Charge0
Complexity1970
SMILES
C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CS)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)N)O
InChI
InChI=1S/C54H71N11O10S2/c1-29(2)45(54(75)63-44(28-77)53(74)65-46(30(3)66)47(57)68)64-49(70)40(14-8-9-21-55)59-51(72)42(25-35-26-58-39-13-7-6-12-37(35)39)61-50(71)41(24-31-16-19-36(67)20-17-31)60-52(73)43(27-76)62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67,76-77H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
InChIKey
UGVPPRZHXAMSJP-SCTWWAJVSA-N
Chemical Structure
2D Structure
2D structure of Angiopeptin
CAS: 113294-82-9
CID: 5311220
Formula: C54H71N11O10S2
MW: 1098.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1098.3
XLogP32.6
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Exact Mass1097.48267985
Monoisotopic Mass1097.48267985
Topological Polar Surface Area357 Ų
Heavy Atom Count77
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5817944Angiopeptin TFA
HY-P2090Angiopeptin
HY-P2090A-01Angiopeptin (TFA)
A23225-25Angiopeptin TFA 25mg
A23225-10Angiopeptin TFA 10mg
A23225-5Angiopeptin TFA 5mg

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